Structure Database (LMSD)

Common Name
12Z-Hexadecenyl acetate
Systematic Name
12Z-Hexadecenyl acetate
Synonyms
LM ID
LMFA07010363
Formula
C18H34O2
Exact Mass
Calculate m/z
282.25588
Sum Composition
SFE 18:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
MGPBZLCNYHCLEI-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h5-6H,3-4,7-17H2,1-2H3/b6-5-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCC/C=C\CCC

Other Databases

CHEBI ID
196178
PubChem CID
6431469

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 332.26
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.09
Molar Refractivity 87.34

Admin

Created at
-
Updated at
6th Jun 2022